(E)-3-(2,4-dimethylphenyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide

C25H26N2O5S — CID 24635981

IUPAC(E)-3-(2,4-dimethylphenyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1NC(=O)/C=C/c1ccc(C)cc1C
InChIInChI=1S/C25H26N2O5S/c1-17-9-10-19(18(2)15-17)11-14-25(28)26-22-16-20(12-13-24(22)32-4)33(29,30)27-21-7-5-6-8-23(21)31-3/h5-16,27H,1-4H3,(H,26,28)/b14-11+
InChIKeyGKEMGJARNAAYQQ-SDNWHVSQSA-N
MW466.56 g/mol
LogP4.77
Rot. Bonds8

About (E)-3-(2,4-dimethylphenyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide

(E)-3-(2,4-dimethylphenyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide (PubChem CID 24635981) has the molecular formula C25H26N2O5S and a molecular weight of 466.56 g/mol. Its IUPAC name is (E)-3-(2,4-dimethylphenyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,4-dimethylphenyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
PubChem CID24635981
Molecular FormulaC25H26N2O5S
Molecular Weight466.56 g/mol
Exact Mass466.16
IUPAC Name(E)-3-(2,4-dimethylphenyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1NC(=O)/C=C/c1ccc(C)cc1C
InChIInChI=1S/C25H26N2O5S/c1-17-9-10-19(18(2)15-17)11-14-25(28)26-22-16-20(12-13-24(22)32-4)33(29,30)27-21-7-5-6-8-23(21)31-3/h5-16,27H,1-4H3,(H,26,28)/b14-11+
InChIKeyGKEMGJARNAAYQQ-SDNWHVSQSA-N
XLogP4.77
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(2,4-dimethylphenyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide with MolForge

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Related Compounds

3-[[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 24565267
(E)-N-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 9098414
(E)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide
CID 6235648
(E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 33160805
(E)-N-(4-fluoro-2-methylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 26886402
(E)-N-(5-fluoro-2-methylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 26696619
N-[2-methoxy-5-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 7343262
3-(2-fluorophenyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 71904147
(E)-3-(2-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 966348
3-(1-ethyl-5-methylpyrazol-4-yl)-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 3539100
N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide
CID 4963340
(E)-N-(2-hydroxy-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 2688131

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dimethylphenyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,4-dimethylphenyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide (CID 24635981) is (E)-3-(2,4-dimethylphenyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,4-dimethylphenyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,4-dimethylphenyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide is COc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1NC(=O)/C=C/c1ccc(C)cc1C.
What is the InChIKey of (E)-3-(2,4-dimethylphenyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
The InChIKey is GKEMGJARNAAYQQ-SDNWHVSQSA-N. The full InChI is InChI=1S/C25H26N2O5S/c1-17-9-10-19(18(2)15-17)11-14-25(28)26-22-16-20(12-13-24(22)32-4)33(29,30)27-21-7-5-6-8-23(21)31-3/h5-16,27H,1-4H3,(H,26,28)/b14-11+.
What are the key properties of (E)-3-(2,4-dimethylphenyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
(E)-3-(2,4-dimethylphenyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide has a molecular weight of 466.56 g/mol, XLogP of 4.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dimethylphenyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide is sourced from PubChem (CID 24635981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).